CHEBI:203467 - Liposidomycin M-(III)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Liposidomycin M-(III)
ChEBI ID CHEBI:203467
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H71N5O18
Net Charge 0
Average Mass 958.069
Monoisotopic Mass 957.47941
InChI InChI=1S/C44H71N5O18/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(63-30(53)20-24(2)19-29(51)52)21-31(54)64-27-23-47(3)33(40(59)48(4)32(27)42(60)61)38(67-43-37(58)34(55)26(22-45)65-43)39-35(56)36(57)41(66-39)49-18-17-28(50)46-44(49)62/h17-18,24-27,32-39,41,43,55-58H,5-16,19-23,45H2,1-4H3,(H,51,52)(H,60,61)(H,46,50,62)
InChIKey JOJGOQZCIUYMNK-UHFFFAOYSA-N
SMILES O=C1N(C(C(=O)O)C(OC(=O)CC(OC(=O)CC(CC(=O)O)C)CCCCCCCCCCCCC)CN(C1C(OC2OC(CN)C(C2O)O)C3OC(N4C(=O)NC(=O)C=C4)C(C3O)O)C)C
Metabolite of Species Details
Streptomycesspecies SN-1061M (NCBI:txid722721) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Liposidomycin M-(III) (CHEBI:203467) is a dipeptide (CHEBI:46761)
IUPAC Name
2-[[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-[3-(4-carboxy-3-methylbutanoyl)oxyhexadecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
Manual Xref Database
78444046 ChemSpider
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